1-(4,5-dihydroimidazol-1-yl)propan-1-ol

C6H12N2O — CID 19961313

IUPAC1-(4,5-dihydroimidazol-1-yl)propan-1-ol
SMILESCCC(O)N1C=NCC1
InChIInChI=1S/C6H12N2O/c1-2-6(9)8-4-3-7-5-8/h5-6,9H,2-4H2,1H3
InChIKeyHZIPRGVLBFCPQS-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.06
Rot. Bonds2

About 1-(4,5-dihydroimidazol-1-yl)propan-1-ol

1-(4,5-dihydroimidazol-1-yl)propan-1-ol (PubChem CID 19961313) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is 1-(4,5-dihydroimidazol-1-yl)propan-1-ol.

Molecular Properties

Compound Name1-(4,5-dihydroimidazol-1-yl)propan-1-ol
PubChem CID19961313
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name1-(4,5-dihydroimidazol-1-yl)propan-1-ol
SMILESCCC(O)N1C=NCC1
InChIInChI=1S/C6H12N2O/c1-2-6(9)8-4-3-7-5-8/h5-6,9H,2-4H2,1H3
InChIKeyHZIPRGVLBFCPQS-UHFFFAOYSA-N
XLogP0.06
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dihydroimidazol-1-yl)propan-1-ol?
The IUPAC name of 1-(4,5-dihydroimidazol-1-yl)propan-1-ol (CID 19961313) is 1-(4,5-dihydroimidazol-1-yl)propan-1-ol.
What is the SMILES notation for 1-(4,5-dihydroimidazol-1-yl)propan-1-ol?
The canonical SMILES for 1-(4,5-dihydroimidazol-1-yl)propan-1-ol is CCC(O)N1C=NCC1.
What is the InChIKey of 1-(4,5-dihydroimidazol-1-yl)propan-1-ol?
The InChIKey is HZIPRGVLBFCPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-2-6(9)8-4-3-7-5-8/h5-6,9H,2-4H2,1H3.
What are the key properties of 1-(4,5-dihydroimidazol-1-yl)propan-1-ol?
1-(4,5-dihydroimidazol-1-yl)propan-1-ol has a molecular weight of 128.17 g/mol, XLogP of 0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dihydroimidazol-1-yl)propan-1-ol is sourced from PubChem (CID 19961313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).